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3-Methyl-2-butenoic acid, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID B6qlqjTKNke
InChI InChI=1S/C14H22O2/c1-6-7-8-13(9-11(2)3)16-14(15)10-12(4)5/h10-11,13H,6,9H2,1-5H3
InChIKey IXSBHDLRHLWLPL-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PNN0e5ZBmd
Name 3-Methyl-2-butenoic acid, 2-methyloct-5-yn-4-yl ester
Alternate Name(s) 3-Methyl-2-butenoic acid 2-methyloct-5-yn-4-yl ester 1-isobutylpent-2-ynyl 3-methylbut-2-enoate 2-Methyloct-5-yn-4-yl 3-methylbut-2-enoate
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Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-6-7-8-13(9-11(2)3)16-14(15)10-12(4)5/h10-11,13H,6,9H2,1-5H3
InChIKey IXSBHDLRHLWLPL-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES CC(C)=CC(OC(CC(C)C)C#CCC)=O
SPLASH splash10-001i-9100000000-c06e07ae4ca8a86b149e
Source of Spectrum NP-5-4348-0
Wiley ID 1104870